lp:~nickpapior/siesta/trunk-precision

Created by Nick Papior and last modified
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Owner:
Nick Papior
Project:
Siesta
Status:
Development

Recent revisions

625. By Nick Papior

Updated several smaller parts to use the Kahan summation

These routines now use Kahan summation for their summations:

- dfscf (forces and stress)
- poison (total energy)
- spin-orbit (initial calculation of energy)
- siesta_analysis (charge)

624. By Nick Papior

Initial move of 4.1-precision to trunk-precision

All the same as 4.1-precision, however, I have removed
the precision library dependency in the SiestaXC routine
because it is an external library.

I have also added the precision summation to the vacuum-level calculation

623. By Nick Papior

Merged 4.1 r716-718

622. By Nick Papior

Merged 4.1 r711-715

621. By Nick Papior

Makefile bug with lto compilation

Now siesta allows compilation when special requirements
exists on sub-library creations. I.e. LTO/IPO optimizations.

It has been compiled with gcc-6.2.0 with LTO for testing.

620. By Nick Papior

Merged 4.1 r709-710

619. By Nick Papior

Merged 4.1 r707-708

618. By Nick Papior

Merged 4.1 r705-706

617. By Nick Papior

MatrixSwitch compilation was still buggy

The problem arose in certain situations where the
MatrixSwitch sub-directory already had the library and
sources built. However, the Makefile did not copy back
the modules and library so it just got stuck.
This should be fixed now by adding a module target in the
MatrixSwitch directory.

616. By Nick Papior

Merged 4.1 r702-704

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